SpectraBase Spectrum ID |
BTrpnLXpWbb |
Name |
Sarcosine, N-hexanoyl-, octyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
299.246043924 u |
Formula |
C17H33NO3 |
InChI |
InChI=1S/C17H33NO3/c1-4-6-8-9-10-12-14-21-17(20)15-18(3)16(19)13-11-7-5-2/h4-15H2,1-3H3 |
InChIKey |
ZXWZUZMQURKFNG-UHFFFAOYSA-N |
Molecular Weight |
299.455 g/mol |
SMILES |
CCCCCC(N(CC(OCCCCCCCC)=O)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981671 |